CID 3044828

57774-87-5

Structural Information

Molecular Formula
C6H13S
SMILES
CC1CCC[S+]1C
InChI
InChI=1S/C6H13S/c1-6-4-3-5-7(6)2/h6H,3-5H2,1-2H3/q+1
InChIKey
GSVFVFKJOAZWRU-UHFFFAOYSA-N
Compound name
1,2-dimethylthiolan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

117.0738 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08108 122.2
[M+Na]+ 140.06302 130.1
[M-H]- 116.06652 126.5
[M+NH4]+ 135.10762 147.2
[M+K]+ 156.03696 123.9
[M+H-H2O]+ 100.07106 120.7
[M+HCOO]- 162.07200 140.0
[M+CH3COO]- 176.08765 162.0
[M+Na-2H]- 138.04847 125.8
[M]+ 117.07325 120.1
[M]- 117.07435 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.